Geometry & MOs

Info

ID:	201560
PubChem CID:	79556512
Reduced:	ClN2O2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	240.114174
ΔH_f, kcal/mol:	16.81
Dipole, Da:	3.48
IP(EA), eV:	-9.59(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(1-ethylpiperidin-4-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC(CC1=C(C=CC(=C1)Cl)[N+](=O)[O-])(C2=CC=CC=C2)N

DOS

IR

Vibrations